Volume 106; Issue 41

Journal of Physical Chemistry A

Volume 106; Issue 41

1

Solvation and Ionization Stages of HCl on Ice Nanocrystals

Buch, Victoria, Sadlej, Joanna, Aytemiz-Uras, Nevin, Devlin, J. Paul

Journal:

Journal of Physical Chemistry A

Year:

2002

Language:

english

File:

PDF, 707 KB

english, 2002

2

Conformational Change in Azobenzene in Photoisomerization Process Studied with Chirp-Controlled sub-10-fs Pulses

Saito, Takashi, Kobayashi, Takayoshi

Journal:

Journal of Physical Chemistry A

Year:

2002

Language:

english

File:

PDF, 133 KB

english, 2002

3

Ab Initio Potential Energy Surface and Vibrational−Rotational Energy Levels of X 2 Σ + CaOH

Koput, Jacek, Peterson, Kirk A.

Journal:

Journal of Physical Chemistry A

Year:

2002

Language:

english

File:

PDF, 48 KB

english, 2002

4

Fenton Degradation of Malachite Green Catalyzed by Aromatic Additives

Chen, Feng, Ma, Wanhong, He, Jianjun, Zhao, Jincai

Journal:

Journal of Physical Chemistry A

Year:

2002

Language:

english

File:

PDF, 134 KB

english, 2002

5

Effects of Track Structure on the Ion Radiolysis of the Fricke Dosimeter

Pimblott, Simon M., LaVerne, Jay A.

Journal:

Journal of Physical Chemistry A

Year:

2002

Language:

english

File:

PDF, 143 KB

english, 2002

6

Studies of Osmotic and Activity Coefficients in Aqueous and CCl 4 Solutions of 18-Crown-6 at 25 °C

Patil, Kesharsingh, Pawar, Rajesh, Dagade, Dilip

Journal:

Journal of Physical Chemistry A

Year:

2002

Language:

english

File:

PDF, 149 KB

english, 2002

7

Spectroscopy of Hydrothermal Reactions 20: Experimental and DFT Computational Comparison of Decarboxylation of Dicarboxylic Acids Connected by Single, Double, and Triple Bonds

Li, Jun, Brill, Thomas B.

Journal:

Journal of Physical Chemistry A

Year:

2002

Language:

english

File:

PDF, 225 KB

english, 2002

8

Determination of Ligand-Field Parameters and f-Electronic Structures of Hetero-Dinuclear Phthalocyanine Complexes with a Diamagnetic Yttrium(III) and a Paramagnetic Trivalent Lanthanide Ion

Ishikawa, Naoto, Iino, Tomochika, Kaizu, Youkoh

Journal:

Journal of Physical Chemistry A

Year:

2002

Language:

english

File:

PDF, 129 KB

english, 2002

9

Solution X-ray Absorption Fine Structure Study of the Eu 2+ and Sr 2+ Ions: Unexpected Solvent and Metal Ion Dependencies of the Solvation Numbers

Moreau, Gilles, Scopelliti, Rosario, Helm, Lothar, Purans, Juris, Merbach, André E.

Journal:

Journal of Physical Chemistry A

Year:

2002

Language:

english

File:

PDF, 360 KB

english, 2002

10

Lithium−Benzene Sandwich Compounds: A Quantum Chemical Study

Vollmer, James M., Kandalam, Anil K., Curtiss, Larry A.

Journal:

Journal of Physical Chemistry A

Year:

2002

Language:

english

File:

PDF, 66 KB

english, 2002

11

Rate Coefficient and Mechanism of the Gas Phase OH Hydrogen Abstraction Reaction from Formic Acid: A Quantum Mechanical Approach

Galano, Annia, Alvarez-Idaboy, J. Raúl, Ruiz-Santoyo, Ma. Esther, Vivier-Bunge, Annik

Journal:

Journal of Physical Chemistry A

Year:

2002

Language:

english

File:

PDF, 169 KB

english, 2002

12

Theoretical Studies of the N 6 Potential Energy Surface

Li, Qian Shu, Liu, Yong Dong

Journal:

Journal of Physical Chemistry A

Year:

2002

Language:

english

File:

PDF, 151 KB

english, 2002

13

Solvatochromism and Solvation Dynamics of Structurally Related Cyanine Dyes

Yu, Anchi, Tolbert, Catherine A., Farrow, Darcie A., Jonas, David M.

Journal:

Journal of Physical Chemistry A

Year:

2002

Language:

english

File:

PDF, 315 KB

english, 2002

14

Many-Body Effects in Combined Quantum Mechanical/Molecular Mechanical Simulations of the Hydrated Manganous Ion

Loeffler, Hannes H., Yagüe, Jorge Iglesias, Rode, Bernd M.

Journal:

Journal of Physical Chemistry A

Year:

2002

Language:

english

File:

PDF, 54 KB

english, 2002

15

Hydrogen Bond Breaking and Reformation in Alcohol Oligomers Following Vibrational Relaxation of a Non-Hydrogen-Bond Donating Hydroxyl Stretch

Gaffney, K. J., Piletic, I. R., Fayer, M. D.

Journal:

Journal of Physical Chemistry A

Year:

2002

Language:

english

File:

PDF, 115 KB

english, 2002

16

Linear Ni(I) Complex in cis -[Ni(CN) 4 Cl 2 ] 5- Cluster

Leitão, A. A., Vugman, N. V., Bielschowsky, C. E.

Journal:

Journal of Physical Chemistry A

Year:

2002

Language:

english

File:

PDF, 102 KB

english, 2002

17

Associations of Lithium Alkyl Dicarbonates through O···Li···O Interactions

Wang, Yixuan, Balbuena, Perla B.

Journal:

Journal of Physical Chemistry A

Year:

2002

Language:

english

File:

PDF, 525 KB

english, 2002

18

Resonance Raman Spectrum of a ll - trans -Spheroidene. DFT Analysis and Isotope Labeling

Dokter, A. M., van Hemert, M. C., In ‘t Velt, C. M., van der Hoef, K., Lugtenburg, J., Frank, H. A., Groenen, E. J. J.

Journal:

Journal of Physical Chemistry A

Year:

2002

Language:

english

File:

PDF, 127 KB

english, 2002

19

Controlled Alcohol−Ketone Interconversion by Dihydrogen Transfer: An ab Initio Study of the Methanol−Formaldehyde Complex

Brumer, Yisroel, Shapiro, Moshe, Brumer, Paul, Baldridge, Kim K.

Journal:

Journal of Physical Chemistry A

Year:

2002

Language:

english

File:

PDF, 359 KB

english, 2002

20

Multiphoton Intrapulse Interference. 1. Control of Multiphoton Processes in Condensed Phases

Walowicz, Katherine A., Pastirk, Igor, Lozovoy, Vadim V., Dantus, Marcos

Journal:

Journal of Physical Chemistry A

Year:

2002

Language:

english

File:

PDF, 112 KB

english, 2002

21

Theoretical Study of the Gas Phase Sc + (NO, O 2 ) → ScO + (N, O) Reactions

Kim, Kyoung Hoon, Lee, Yoon Sup, Kim, Dongwook, Kim, Kwang S., Jeung, Gwang-Hi

Journal:

Journal of Physical Chemistry A

Year:

2002

Language:

english

File:

PDF, 80 KB

english, 2002

22

Chemical Structures from the Analysis of Domain-Averaged Fermi Holes. Hypervalence and the Nature of Bonding in Isocoordinated Molecules SF 6 and CLi 6

Ponec, Robert, Gironés, Xavier

Journal:

Journal of Physical Chemistry A

Year:

2002

Language:

english

File:

PDF, 287 KB

english, 2002

23

Comprehensive Experimental and Theoretical Study into the Complete Valence Electronic Structure of Norbornadiene

Mackenzie-Ross, H., Brunger, M. J., Wang, F., Adcock, W., Maddern, T., Campbell, L., Newell, W. R., McCarthy, I. E., Weigold, E., Appelbe, B., Winkler, D. A.

Journal:

Journal of Physical Chemistry A

Year:

2002

Language:

english

File:

PDF, 183 KB

english, 2002

24

2 A‘ and 2 A‘ ‘ Energy Surfaces for the Sc + CO 2 → ScO + CO Reaction

Pápai, Imre, Schubert, Gábor, Hannachi, Yacine, Mascetti, Joëlle

Journal:

Journal of Physical Chemistry A

Year:

2002

Language:

english

File:

PDF, 121 KB

english, 2002

25

Relative Orientation of Quadrupole Tensors from High-Resolution NMR of Powdered Solids

Dowell, Nicholas G., Ashbrook, Sharon E., Wimperis, Stephen

Journal:

Journal of Physical Chemistry A

Year:

2002

Language:

english

File:

PDF, 205 KB

english, 2002

26

Direction Dynamics Study of the Hydrogen Abstraction Reaction CH 2 O + NH 2 → CHO + NH 3

Li, Qian Shu, Lü, Rui Hua

Journal:

Journal of Physical Chemistry A

Year:

2002

Language:

english

File:

PDF, 88 KB

english, 2002

27

Investigation of Short-Time Isomerization Dynamics in p -Nitroazobenzene from Resonance Raman Intensity Analysis

Biswas, Nandita, Abraham, Becky, Umapathy, Siva

Journal:

Journal of Physical Chemistry A

Year:

2002

Language:

english

File:

PDF, 158 KB

english, 2002

28

Molecular Recognition Kinetics of Leucine and Glycyl-Leucine by β-Cyclodextrin in Aqueous Solution in Terms of Ultrasonic Relaxation

Fukahori, Takanori, Ugawa, Takaho, Nishikawa, Sadakatsu

Journal:

Journal of Physical Chemistry A

Year:

2002

Language:

english

File:

PDF, 67 KB

english, 2002

29

Efficiency of Charge Transport in a Polypeptide Chain: The Hydrated System †

Sheu, Sheh-Yi, Yang, Dah-Yen, Selzle, H. L., Schlag, E. W.

Journal:

Journal of Physical Chemistry A

Year:

2002

Language:

english

File:

PDF, 212 KB

english, 2002

30

Resonance Raman Evidence for Multistate Contributions to the Lowest Optical Transitions of Azulenic−Thiobarbituric Acid Donor−Acceptor Chromophores

Leng, Weinan, Wang, C. H., Asato, Alfred E., Kelley, Anne Myers

Journal:

Journal of Physical Chemistry A

Year:

2002

Language:

english

File:

PDF, 84 KB

english, 2002

31

Reaction of CH with NO 2 Studied by Time-Resolved FTIR Spectroscopy

Ren, Li, Kong, Fanao

Journal:

Journal of Physical Chemistry A

Year:

2002

Language:

english

File:

PDF, 64 KB

english, 2002

32

A Theoretical Study of Oxygen Atom Transfer Reactions from Oxiranes to Heavy Carbenes

Journal:

Journal of Physical Chemistry A

Year:

2002

Language:

english

File:

PDF, 123 KB

english, 2002

33

Ab Initio and Topological Study of Interactions between SiH 4- n X n ( n = 0−3, X = F and Cl) and BH 3

Hu, Shao-Wen, Wang, Xiang-Yun

Journal:

Journal of Physical Chemistry A

Year:

2002

Language:

english

File:

PDF, 181 KB

english, 2002

34

Temperature Effect on the CH Stretching Spectrum of Gaseous −3H 1 Monohydrogenated Cyclopentene

Cavagnat, D., Lespade, L., Lacome, N.

Journal:

Journal of Physical Chemistry A

Year:

2002

Language:

english

File:

PDF, 78 KB

english, 2002

35

A New Way for IVR Induced by Fast Internal Motion As Revealed by a Jet-Cooled Spectrum of Cyclopentene

Lespade, L., Cavagnat, D., Asselin, P.

Journal:

Journal of Physical Chemistry A

Year:

2002

Language:

english

File:

PDF, 164 KB

english, 2002